Compound Detail
CHEMBL329685
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Basic Information
| ChEMBL ID | CHEMBL329685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUKTXHCGSFMYLO-JCNKGUCWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
3.42
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 8.03 | 8.03 | 9.3 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.01 | 8.01 | 9.7 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.31 | 7.31 | 48.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 9.3 | nM | 8.03 | Ability to displace [3H]pyrilamine from human cloned histamine H1 receptor expre... | 15125929 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 9.7 | nM | 8.01 | Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C r... | 15125929 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 48.6 | nM | 7.31 | Ability to displace [125I]R91150 from human cloned 5-hydroxytryptamine 2A recept... | 15125929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15125929 | 10.1016/j.bmcl.2004.03.069 | 5-hydroxytryptamine receptor 2A | 1 |
| 15125929 | 10.1016/j.bmcl.2004.03.069 | 5-hydroxytryptamine receptor 2C | 1 |
| 15125929 | 10.1016/j.bmcl.2004.03.069 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine